Information card for entry 4078430

Structure parameters

• Formula: C42 H56 N8 O2 Zn2
• Calculated formula: C42 H56 N8 O2 Zn2
• SMILES: C(C)[Zn]12[n]3c(cc(C)n3[C@@H](n3c(cc(n3)C)C)[C@H]([O]1[Zn]1([n]3c(cc(C)n3[C@H](n3c(cc(n3)C)C)[C@@H]([O]21)c1ccc(cc1)C)C)CC)c1ccc(cc1)C)C
• Title of publication: ChiralN,N,O-Scorpionate Zinc Alkyls as Effective and Stereoselective Initiators for the Living ROP of Lactides
• Authors of publication: Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Tejeda, Juan; Honrado, Manuel; Garcés, Andrés; Lara-Sánchez, Agustín; Rodríguez, Ana M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4191
• a: 9.0504 ± 0.0005 Å
• b: 10.578 ± 0.0005 Å
• c: 12.6055 ± 0.0006 Å
• α: 66.139 ± 0.002°
• β: 82.399 ± 0.003°
• γ: 65.589 ± 0.002°
• Cell volume: 1004.1 ± 0.09 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No